2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-N-prop-2-enyl-1H-quinazoline-8-carboxamide

Systemtic Name: 2-[(3,4-dichlorophenyl)amino]-6-nitro-4-oxidanylidene-N-prop-2-enyl-1H-quinazoline-8-carboxamide Openeye Name: N-allyl-2-(3,4-dichloroanilino)-6-nitro-4-oxo-1H-quinazoline-8-carboxamide CAS Name: 2-(3,4-dichloroanilino)-6-nitro-4-oxo-N-prop-2-enyl-1H-quinazoline-8-carboxamide IUPAC Name: 2-(3,4-dichloroanilino)-6-nitro-4-oxo-N-prop-2-enyl-1H-quinazoline-8-carboxamide Traditional Name: N-allyl-2-(3,4-dichloroanilino)-4-keto-6-nitro-1H-quinazoline-8-carboxamide Formula: C18H13Cl2N5O4 MolecularWeight: 434.23292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)N=C(N2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=O)N=C(N2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N5O4/c1-2-5-21-16(26)11-7-10(25(28)29)8-12-15(11)23-18(24-17(12)27)22-9-3-4-13(19)14(20)6-9/h2-4,6-8H,1,5H2,(H,21,26)(H2,22,23,24,27)